| Name |
Cucumarioside A3-3 |
| Formula |
C53H86O30S2 |
| Mw |
1266.46453287 |
| CAS RN |
583028-88-0 |
| C_ID |
C00044671
, 
|
| InChIKey |
DEGIZHZCSKUBCN-WFCCCABNNA-N |
| InChICode |
InChI=1S/C53H86O30S2/c1-21(55)23-11-15-53(7)25-9-10-30-50(3,4)31(13-14-51(30,5)24(25)12-16-52(23,53)6)78-48-43(35(60)29(19-73-48)83-85(68,69)70)82-49-44(81-45-36(61)32(57)26(56)18-72-45)37(62)40(22(2)75-49)79-47-39(64)42(34(59)28(77-47)20-74-84(65,66)67)80-46-38(63)41(71-8)33(58)27(17-54)76-46/h12,22-23,25-49,54,56-64H,9-11,13-20H2,1-8H3,(H,65,66,67)(H,68,69,70)/t22-,23-,25-,26-,27-,28-,29-,30+,31+,32+,33-,34-,35+,36-,37+,38-,39-,40-,41+,42+,43-,44-,45+,46+,47+,48+,49+,51-,52-,53+/m1/s1 |
| SMILES |
CO[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O[C@H]4[C@H](O[C@H]5CC[C@]6(C)C7=CC[C@]8(C)[C@@H](C(C)=O)CC[C@@]8(C)[C@@H]7CC[C@H]6C5(C)C)OC[C@@H](OS(=O)(=O)O)[C@@H]4O)O[C@@H]3C)O[C@H](COS(=O)(=O)O)[C@H]2O)O[C@H](CO)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Animalia | Cucumariidae | Cucumaria conicospermium | Ref. |
|
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